(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol

C11H14FNO — CID 112715367

IUPAC(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
SMILESCC1Cc2c(F)cccc2C1(N)CO
InChIInChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyQYPOCEMBDDEHBP-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.16
Rot. Bonds1

About (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol

(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol (PubChem CID 112715367) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
PubChem CID112715367
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
SMILESCC1Cc2c(F)cccc2C1(N)CO
InChIInChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyQYPOCEMBDDEHBP-UHFFFAOYSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol (CID 112715367) is (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol is CC1Cc2c(F)cccc2C1(N)CO.
What is the InChIKey of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
The InChIKey is QYPOCEMBDDEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-5-8-9(11(7,13)6-14)3-2-4-10(8)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol?
(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol has a molecular weight of 195.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 112715367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).